SCHEMBL7951369

SCHEMBL7951369

CO[C@H]1CCN([S+]([O-])c2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
HTR2A P28223 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
EPHX2 P34913 4/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
FPR2 P25090 2/20 0.34
PROKR1 Q8TCW9 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LIPE Q05469 1/20 0.34
CCR6 P51684 2/20 0.34
KCNH2 Q12809 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
MMP12 P39900 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7945321 0.92 CARM1 (0.39) CARM1PRMT6HTR2APDE3BPDE3A
SCHEMBL7950089 0.92 CARM1 (0.39) CARM1PRMT6HTR2APDE3BPDE3A
SCHEMBL7951343 0.79 SLC6A4 (0.46) HTR2AEPHX2EPHX1SLC6A4SLC6A3
SCHEMBL21613810 0.74 EPHX2 (0.45) HTR2AEPHX2MEN1KMT2AKDM2B
SCHEMBL7961313 0.69 SLC6A4 (0.45) CARM1PRMT6EPHX2ALDH1A1LIPE
SCHEMBL20463333 0.69 HTR2B (0.60) ALDH1A1KMT2AKCNH2
SCHEMBL7949461 0.68 HSD11B1 (0.60) EPHX2FPR2PROKR1MEN1KMT2A
SCHEMBL14699678 0.68 ALDH1A1 (0.65) CARM1PRMT6ALDH1A1TSHRKCNH2
SCHEMBL7956021 0.68 CARM1 (0.40) CARM1PRMT6HTR2APDE3BPDE3A
SCHEMBL7955727 0.67 OPRM1 (0.56) CARM1PRMT6FPR2PROKR1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009151152-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-12-17 WO disclosed